# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00017171 _cell_length_b 13.15409787 _cell_length_c 7.01912410 _cell_angle_alpha 118.06117266 _cell_angle_beta 71.18968807 _cell_angle_gamma 101.05852462 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 539.26395964 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.09396300 0.02033500 0.64829400 1.0 Mg Mg1 1 0.43842500 0.17067300 0.88588700 1.0 Mg Mg2 1 0.12792900 0.52321800 0.69412900 1.0 Mg Mg3 1 0.42320900 0.72470400 0.85948600 1.0 Mg Mg4 1 0.13839600 0.14330200 0.32356200 1.0 Mg Mg5 1 0.80351100 0.11030900 0.12554600 1.0 Mg Mg6 1 0.16402800 0.60646200 0.17250700 1.0 Mg Mg7 1 0.73595600 0.64089400 0.01588500 1.0 Mg Mg8 1 0.21219900 0.32608500 0.76580200 1.0 Mg Mg9 1 0.77106300 0.32359100 0.63045000 1.0 Mg Mg10 1 0.08359600 0.74569200 0.68773000 1.0 Mg Mg11 1 0.77187900 0.73847600 0.49896300 1.0 Mg Mg12 1 0.54071000 0.33624600 0.31955800 1.0 Mg Mg13 1 0.08984500 0.34633300 0.22793500 1.0 Mg Mg14 1 0.45773100 0.83835500 0.40621800 1.0 Mg Mg15 1 0.04076500 0.84565400 0.18920500 1.0 Si Si16 1 0.85194700 0.44410400 0.06265900 1.0 Si Si17 1 0.49068300 0.50230200 0.75773800 1.0 Si Si18 1 0.76585700 0.03514400 0.45389400 1.0 Si Si19 1 0.28560400 0.95685700 0.88451100 1.0 Si Si20 1 0.47139000 0.15565800 0.47773300 1.0 Si Si21 1 0.83994000 0.22278000 0.87847300 1.0 Si Si22 1 0.42113200 0.61836200 0.40627000 1.0 Si Si23 1 0.73787800 0.86187600 0.01944200 1.0 Si Si24 1 0.47962500 0.43993700 0.05735200 1.0 Si Si25 1 0.82766600 0.53038200 0.51973300 1.0 Si Si26 1 0.41502900 0.96600100 0.19503800 1.0 Si Si27 1 0.66320400 0.96213800 0.75282500 1.0